5LF3

Human 20S proteasome complex with Bortezomib at 2.1 Angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	113.370, 202.720, 314.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	170.450 - 2.100
R-factor	0.18579
Rwork	0.184
R-free	0.22550
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5le5
RMSD bond length	0.014
RMSD bond angle	1.718
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	170.450	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.112
Number of reflections	393306
<I/σ(I)>	12.4	0.9
Completeness [%]	98.6	89.1
Redundancy	5.13
CC(1/2)	1.000	0.260

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1 M Bis-Tris, 0.2 M Magnesium Chloride, 10 % PEG3350